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PUBCHEM-ZINC02742318

 MMsINC code: MMs02914715
Type: Neutral
Formula: C11H14FNO2S
SMILES:   S(=O)(=O)(NC1CCCC1)c1ccc(F)cc1
InChI:   InChI=1/C11H14FNO2S/c12-9-5-7-11(8-6-9)16(14,15)13-10-3-1-2-4-10/h5-8,10,13H,1-4H2

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Potential Energy
Epot(MMFF94)=8.65879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.302 g/mol  logS: -2.47376  SlogP: 2.0466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163859  Sterimol/B1: 2.41565  Sterimol/B2: 3.53764  Sterimol/B3: 4.6714
  Sterimol/B4: 4.83937  Sterimol/L: 12.7121 
 
 Surface and Volume Properties
  Accessible surface: 429.609  Positive charged surface: 242.718  Negative charged surface: 186.891  Volume: 213.25
  Hydrophobic surface: 356.612  Hydrophilic surface: 72.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.